N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine

C25H21FN6O — CID 67470402

IUPACN-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cn2ncc3nccc(Nc4ccnc(-c5nc(C)ccc5F)c4)c32)cc1
InChIInChI=1S/C25H21FN6O/c1-16-3-8-20(26)24(30-16)22-13-18(9-11-27-22)31-21-10-12-28-23-14-29-32(25(21)23)15-17-4-6-19(33-2)7-5-17/h3-14H,15H2,1-2H3,(H,27,28,31)
InChIKeyZCWYXTVWVMJDGC-UHFFFAOYSA-N
MW440.48 g/mol
LogP5.14
Rot. Bonds6

About N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine

N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (PubChem CID 67470402) has the molecular formula C25H21FN6O and a molecular weight of 440.48 g/mol. Its IUPAC name is N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine.

Molecular Properties

Compound NameN-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
PubChem CID67470402
Molecular FormulaC25H21FN6O
Molecular Weight440.48 g/mol
Exact Mass440.18
IUPAC NameN-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine
SMILESCOc1ccc(Cn2ncc3nccc(Nc4ccnc(-c5nc(C)ccc5F)c4)c32)cc1
InChIInChI=1S/C25H21FN6O/c1-16-3-8-20(26)24(30-16)22-13-18(9-11-27-22)31-21-10-12-28-23-14-29-32(25(21)23)15-17-4-6-19(33-2)7-5-17/h3-14H,15H2,1-2H3,(H,27,28,31)
InChIKeyZCWYXTVWVMJDGC-UHFFFAOYSA-N
XLogP5.14
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The IUPAC name of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine (CID 67470402) is N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine.
What is the SMILES notation for N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The canonical SMILES for N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is COc1ccc(Cn2ncc3nccc(Nc4ccnc(-c5nc(C)ccc5F)c4)c32)cc1.
What is the InChIKey of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
The InChIKey is ZCWYXTVWVMJDGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6O/c1-16-3-8-20(26)24(30-16)22-13-18(9-11-27-22)31-21-10-12-28-23-14-29-32(25(21)23)15-17-4-6-19(33-2)7-5-17/h3-14H,15H2,1-2H3,(H,27,28,31).
What are the key properties of N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine?
N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine has a molecular weight of 440.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-6-methyl-2-pyridinyl)-4-pyridinyl]-1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-7-amine is sourced from PubChem (CID 67470402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).